SCHEMBL962484

SCHEMBL962484

O=[N+]([O-])c1c(F)cccc1CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 1/20 0.40
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1D1 P20393 1/20 0.36
NR1H3 Q13133 1/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 3/20 0.35
GPR35 Q9HC97 1/20 0.35
ALDH3A1 P30838 1/20 0.35
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2027979 0.86 ALDH1A1 (0.46) ALDH1A1TDP1HPGDLMNATSHR
SCHEMBL27688494 0.86 MGMT (0.38) MGMTALDH1A1TDP1MEN1KMT2A
SCHEMBL214271 0.83 ALDH1A1 (0.45) MGMTALDH1A1TDP1MEN1KMT2A
SCHEMBL16950621 0.81 ALDH1A1 (0.41) MGMTALDH1A1TDP1MEN1KMT2A
SCHEMBL20560654 0.81 ALDH1A1 (0.52) MGMTALDH1A1TDP1MEN1KMT2A
SCHEMBL29961217 0.81 ALDH1A1 (0.41) MGMTALDH1A1TDP1MEN1KMT2A
SCHEMBL1855977 0.81 MGMT (0.43) MGMTALDH1A1TDP1MEN1KMT2A
SCHEMBL240574 0.80 TDP1 (0.52) MGMTALDH1A1TDP1LMNATSHR
SCHEMBL16310260 0.79 TDP1 (0.45) ALDH1A1TDP1MEN1KMT2ACYP1A2
SCHEMBL1167739 0.79 TSHR (0.53) ALDH1A1TDP1HPGDTSHRGPR35

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208953-A1 \"Cyclopenta[c]pyrrol Negative Allosteric Modulators of NR2B\ NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-06-27 US disclosed
EP-4313041-A1 NOVEL CYCLOPENTAL[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B Novartis AG (CH) 2024-02-07 EP disclosed
CN-117157072-A Novel cyclopento [ c ] pyrrole NR2B negative allosteric modulators 诺华股份有限公司 2023-12-01 CN disclosed
WO-2022204336-A1 NOVEL CYCLOPENTAL[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B NOVARTIS AG (CH) 2022-09-29 WO disclosed
EP-2760863-A1 PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES AS KINASE INHIBITORS Cellzome Limited (GB) 2014-08-06 EP disclosed
EP-2172198-B1 p27 PROTEIN INDUCER CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-04-16 EP disclosed
US-8569378-B2 p27 protein inducer Sakai, Toshiyuki (JP) 2013-10-29 US disclosed
WO-2013041605-A1 PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2013-03-28 WO disclosed
US-8278465-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-02 US disclosed
EP-1982982-B1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-09-26 EP disclosed
US-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity IIKURA HITOSHI 2011-04-21 US disclosed
US-7897792-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 US disclosed
US-20110009398-A1 p27 Protein Inducer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-13 US disclosed
EP-2172198-A1 p27 PROTEIN INDUCER Chugai Seiyaku Kabushiki Kaisha (JP) 2010-04-07 EP disclosed
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110009398-A1 p27 Protein Inducer CDKN1A, CDK2, SKP2 MGMT 1734/4885ALDH1A1 1983/4885TDP1 4603/4885
US-20240208953-A1 \"Cyclopenta[c]pyrrol Negative Allosteric Modulators of NR2B\ GRIN2C, GRIN2B, GRIN2A MGMT 2227/4885ALDH1A1 3460/4885TDP1 2839/4885
US-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 MGMT 3531/4885ALDH1A1 452/4885TDP1 3965/4885
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 MGMT 3531/4885ALDH1A1 452/4885TDP1 3965/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.